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BDBM50194244 CHEMBL212172::H-Dmt-Tic-NH-(D)-CH[(CH2)4-NH-Z]-Bid

SMILES: Cc1cc(O)cc(C)c1CC(N)C(=O)N1Cc2ccccc2CC1C(=O)N[C@H](CCCCNC(=O)OCc1ccccc1)c1nc2ccccc2[nH]1

InChI Key: InChIKey=ZHRKDWCBKIOLKI-QNUATKLTSA-N

Data: 2 KI  2 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50194244   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50194244
PNG
(CHEMBL212172 | H-Dmt-Tic-NH-(D)-CH[(CH2)4-NH-Z]-Bi...)
Show SMILES Cc1cc(O)cc(C)c1CC(N)C(=O)N1Cc2ccccc2CC1C(=O)N[C@H](CCCCNC(=O)OCc1ccccc1)c1nc2ccccc2[nH]1
Show InChI InChI=1S/C41H46N6O5/c1-26-20-31(48)21-27(2)32(26)23-33(42)40(50)47-24-30-15-7-6-14-29(30)22-37(47)39(49)46-36(38-44-34-16-8-9-17-35(34)45-38)18-10-11-19-43-41(51)52-25-28-12-4-3-5-13-28/h3-9,12-17,20-21,33,36-37,48H,10-11,18-19,22-25,42H2,1-2H3,(H,43,51)(H,44,45)(H,46,49)/t33?,36-,37?/m1/s1
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.150n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in Sprague-Dawley rat brain P2 synaptosomal membrane


J Med Chem 49: 5610-7 (2006)


Article DOI: 10.1021/jm060741w
BindingDB Entry DOI: 10.7270/Q2416XTD
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50194244
PNG
(CHEMBL212172 | H-Dmt-Tic-NH-(D)-CH[(CH2)4-NH-Z]-Bi...)
Show SMILES Cc1cc(O)cc(C)c1CC(N)C(=O)N1Cc2ccccc2CC1C(=O)N[C@H](CCCCNC(=O)OCc1ccccc1)c1nc2ccccc2[nH]1
Show InChI InChI=1S/C41H46N6O5/c1-26-20-31(48)21-27(2)32(26)23-33(42)40(50)47-24-30-15-7-6-14-29(30)22-37(47)39(49)46-36(38-44-34-16-8-9-17-35(34)45-38)18-10-11-19-43-41(51)52-25-28-12-4-3-5-13-28/h3-9,12-17,20-21,33,36-37,48H,10-11,18-19,22-25,42H2,1-2H3,(H,43,51)(H,44,45)(H,46,49)/t33?,36-,37?/m1/s1
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PC sid
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0.400n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Displacement of [3H]deltorphin2 from delta opioid receptor in Sprague-Dawley rat brain P2 synaptosomal membrane


J Med Chem 49: 5610-7 (2006)


Article DOI: 10.1021/jm060741w
BindingDB Entry DOI: 10.7270/Q2416XTD
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50194244
PNG
(CHEMBL212172 | H-Dmt-Tic-NH-(D)-CH[(CH2)4-NH-Z]-Bi...)
Show SMILES Cc1cc(O)cc(C)c1CC(N)C(=O)N1Cc2ccccc2CC1C(=O)N[C@H](CCCCNC(=O)OCc1ccccc1)c1nc2ccccc2[nH]1
Show InChI InChI=1S/C41H46N6O5/c1-26-20-31(48)21-27(2)32(26)23-33(42)40(50)47-24-30-15-7-6-14-29(30)22-37(47)39(49)46-36(38-44-34-16-8-9-17-35(34)45-38)18-10-11-19-43-41(51)52-25-28-12-4-3-5-13-28/h3-9,12-17,20-21,33,36-37,48H,10-11,18-19,22-25,42H2,1-2H3,(H,43,51)(H,44,45)(H,46,49)/t33?,36-,37?/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Agonist activity at delta opioid receptor assessed as inhibition of electrically-evoked contraction of mouse vas deferens


J Med Chem 49: 5610-7 (2006)


Article DOI: 10.1021/jm060741w
BindingDB Entry DOI: 10.7270/Q2416XTD
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50194244
PNG
(CHEMBL212172 | H-Dmt-Tic-NH-(D)-CH[(CH2)4-NH-Z]-Bi...)
Show SMILES Cc1cc(O)cc(C)c1CC(N)C(=O)N1Cc2ccccc2CC1C(=O)N[C@H](CCCCNC(=O)OCc1ccccc1)c1nc2ccccc2[nH]1
Show InChI InChI=1S/C41H46N6O5/c1-26-20-31(48)21-27(2)32(26)23-33(42)40(50)47-24-30-15-7-6-14-29(30)22-37(47)39(49)46-36(38-44-34-16-8-9-17-35(34)45-38)18-10-11-19-43-41(51)52-25-28-12-4-3-5-13-28/h3-9,12-17,20-21,33,36-37,48H,10-11,18-19,22-25,42H2,1-2H3,(H,43,51)(H,44,45)(H,46,49)/t33?,36-,37?/m1/s1
UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 62.5n/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Agonist activity at mu opioid receptor assessed as inhibition of electrically-evoked contraction of guinea pig ileum


J Med Chem 49: 5610-7 (2006)


Article DOI: 10.1021/jm060741w
BindingDB Entry DOI: 10.7270/Q2416XTD
More data for this
Ligand-Target Pair